(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one

C9H19N3O — CID 10058240

IUPAC(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one
SMILESNCC[C@@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m1/s1
InChIKeyRKBKYSFKXFKBBM-MRVPVSSYSA-N
MW185.27 g/mol
LogP-0.32
Rot. Bonds3

About (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one

(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one (PubChem CID 10058240) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one
PubChem CID10058240
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one
SMILESNCC[C@@H](N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m1/s1
InChIKeyRKBKYSFKXFKBBM-MRVPVSSYSA-N
XLogP-0.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-oxo-4-piperidin-1-ylbutane-1,3-diamine
CID 9942336
2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-guanidine
CID 10059633
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
N-((S)-3-Amino-4-oxo-4-piperidin-1-yl-butyl)-acetamide
CID 10353699
N-[3-Amino-1-(piperidine-1-carbonyl)-propyl]-guanidine
CID 10376453
(S)-4-Amino-1-piperidin-1-yl-2-(piperidin-4-ylamino)-butan-1-one
CID 10468265
(S)-1-((S)-2,4-Diamino-butyryl)-piperidine-2-carbonitrile
CID 11229576
2,4-Diamino-1-piperidin-1-yl-butan-1-one
CID 24906298
(S)-1-(2,4-Diamino-butyryl)-piperidine-2-carbonitrile
CID 44364385
1-(Piperidin-4-yl)pyrrolidin-2-one
CID 18314250
2-(S)-Amino-4-cyclohexylamino-1-piperidin-1-yl-butan-1-one
CID 11437087

Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one?
The IUPAC name of (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one (CID 10058240) is (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one is NCC[C@@H](N)C(=O)N1CCCCC1.
What is the InChIKey of (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one?
The InChIKey is RKBKYSFKXFKBBM-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2/t8-/m1/s1.
What are the key properties of (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one?
(2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-diamino-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 10058240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).